MetaboLightsapplication/xmlftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14032/m_MTBLS14032_LC-MS_negative_reverse-phase_metabolite_profiling-1_v2_maf.tsvftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14032/i_Investigation.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14032/a_MTBLS14032_LC-MS_negative_reverse-phase_metabolite_profiling-1.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14032/s_MTBLS14032.txtprimaryOK200ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14032<p>Based on the standard substances, a MWDB (Metware Database) was constructed to conduct qualitative analysis on the data detected by mass spectrometry. Quantitative is using triple level 4 pole mass spectrometry of many Reaction Monitoring mode (Multiple Reaction Monitoring, MRM, the following chart) analysis. MRM mode, the four pole first screening target substances precursor ion (female) ions, rule out other molecules corresponding ion to preliminary eliminate interference quantity material; Precursor ion after collision ionization chamber induced fracture fragment ions were formed, fragment ions by triple level 4 pole filter again choose the needed characteristic fragment ions, exclusion of target ion interference, makes quantitative more fine indeed, better repeatability. After winning the mass spectrometry data of different samples, chromatographic peak of all the target points, through the standard curve for quantitative analysis.</p>MetaboLightsPublicLiquid Chromatography MS - negative - reverse-phase<p>The sample extracts were analyzed using an LC-ESI-MS/MS system. The analytical conditions were as follows, HPLC: column, ACQUITY UPLC HSS T3(1.8 µm, 100 mm x 2.1 mm; Waters); solvent system, water with 0.01% acetic acid and 5 mmol/L ammonium acetate (A),acetonitrile with 0.01% acetic acid (B); The gradient was optimized at 5% to 40% B in 1 min, then increased to 50% B in 6 min, then increased to 75% B in 5 min, and then 75% to 95% in 2min, washed with</p><p>95% B for 2 min ,finally ramped back to 5% B; flow rate, 0.35 mL/min; temperature, 40°C; injection volume: 3 μL. The effluent was alternatively connected to an ESI-triple quadrupole-linear ion trap (QTRAP)-MS.</p>Glycocholic Acid Inhibits TRIB3-ID1 Axis to Destroy Intestinal Epithelial Integrity in Colitis via Suppressing Intestinal Stem Cell Renewal.jing liuInstitute of Materia Medicafecesmass spectrometry assay<p>Samples (20 mg) were extracted with 495 μL methanol after the samples grinded with ball mill. 5μL internal standard mixed solution (10 μg/mL) was added into the extract as internal standards (IS) forthe quantication. Put the samples at -20°C for 10 min to precipitated protein. Then centrifugation for 10 min (12000 r/min, and 4°C), After centrifugation, supernatant through Protein Precipitation Plate for further LC-MS analysis</p><p><br></p><p><br></p>Mus musculushttps://www.ebi.ac.uk/metabolights/MTBLS14032Fang Hua. Institute of Materia Medica. Institute of Materia Medica, Chinese Academy of Medical Sciences, Nanwei Road, Xicheng District, Beijing, China. huafang@imm.ac.cn.Shuang Shang. shangshuang@imm.ac.cn.Jing Liu. liujing@imm.ac.cn.<p>The raw mass spectrometry data were converted to mzML format using ProteoWizard. The processed data were then analyzed with MultiQuant software (version 3.0.3). Chromatographic peaks of the analytes detected in different samples were integrated and corrected by referencing the retention times and peak profiles of the corresponding standards, ensuring accurate identification and quantification.</p><p>Standard solutions at different concentrations were prepared, and the chromatographic peak intensities of the quantitative signals for each concentration were obtained. Standard curves for each substance were constructed by plotting the concentration of the external standard on the x-axis against the peak area ratio (Area Ratio) of the external standard to the internal standard on the y-axis. The quantitative results for the actual samples were finally obtained by substituting the measured values into the corresponding calculation formula.</p>Gcaliujing@imm.ac.cn<p>The feces of mice of acute UC treated with 200 mg/kg GCA were taken out, frozen in liquid nitrogen and sent on dry ice</p>MetabolomicsMetabolomicsglycocholic acidMiceinflammatory bowel diseaseMetabolomicsglycocholic acidMiceinflammatory bowel disease<p>Linear ion trap (LIT) and triple quadrupole (QQQ) scans were acquired on a triple quadrupole-linear ion trap mass spectrometer (QTRAP), QTRAP® 6500+ LC-MS/MS System, equipped with an ESI Turbo Ion-Spray interface, operating in negative ion mode and controlled by Analyst 1.6.3 software (Sciex). The ESI source operation parameters were as follows: ion source, ESI-; source temperature 550 ∘C; ion spray voltage (IS) -4500 V; curtain gas (CUR) was set at 35 psi, respectively. Bile acids were analyzed using scheduled multiple reaction monitoring (MRM). Data acquisitions were performed using Analyst 1.6.3 software (Sciex). Multiquant 3.0.3 software (Sciex) was used to quantify all metabolites. Mass spectrometer parameters including the declustering potentials (DP) and collision energies (CE) for individual</p><p>MRM transitions were done with further DP and CE optimization. A specific set of MRM transitions were monitored for each period according to the metabolites eluted within this period.</p>cholic acidapocholic acid3,7-DIKETOCHOLANIC ACIDChenodeoxycholic acid-3-¦Â-D-glucuronide7-ketolithocholic acidUrsocholic acidTauroursodeoxycholic acid12-ketolithocholic acidGlycocholic acidDehydrocholic acidGlycochenodeoxycholic Acid 3 Sulfate Disodium SaltLithocholic acidIsoallolithocholic acidUrsodeoxycholic acidGlycoursodeoxycholic Acid 3 Sulfate SodiumTaurohyodeoxycholic Acid (sodium salt)3-Oxocholic acidlithocholic acid-3-sulfateCholic Acid 3 Sulfate Sodium SaltDeoxycholic Acid 3-O-Sulfate Disodium Salttaurolithocholic acid-3-sulfate¦Á-muricholic acidDeoxycholic acid 3,12-disulfate trisodium saltTaurocholic acidTauro-¦Á-muricholicAcid sodium salt¦Â-muricholic acidnorcholic acidIsodeoxycholic acidTauro-¦Ø-muricholic Acid sodium salttaurolithocholic acidTaurohyocholic acidisolithocholic acidglycolithocholic acid-3-sulfateLITHOCHOLENIC ACID5¦Á-CHOLANIC ACID-3¦Á-OL¦Â-Hyodeoxycholic AcidChenodeoxycholic acidTaurochenodeoxycholic acidChenodeoxycholic acid 24-acyl-b-D-glucuronideNor-Deoxycholic AcidTAUROURSOCHOLIC ACID3¦Â-Ursodeoxycholic AcidLithocholic Acid 3-O-GlucuronideTauro-¦Â-muricholic acid7-Ketodeoxycholic acidhyocholic acidTaurodeoxycholic acidTaurodehydrocholic acidallocholic acidDehydrolithocholic acidcholic acid 7 sulfate5-¦Â-Cholanic Acid-3¦Á-ol-6-one3-oxochenodeoxycholic acid6,7-diketolithocholic acidTauroursodeoxycholic Acid-3-Sulfate Sodium Salt7,12-diketolithocholic acid12-Oxochenodeoxycholic acidGlycoursodeoxycholic acid3¦Â-Cholic Acid3,6-DIKETOCHOLANIC ACIDCholic Acid 3-O-b-Glucuronide Disodium SaltGlycochenodeoxycholic acid¦Ø-muricholic acid3¦Â-hydroxychol-5-en-24-oic acid3¦Â-deoxycholic acidHyodeoxycholic acid12-dehydrocholic acidDeoxycholic acidGlycohyodeoxycholic AcidChenodeoxycholic acid 3,7-disulfate trisodium salt3-oxodeoxycholic acidGlycohyocholic acidmurideoxycholic acidGlycolithocholic acidGlycodeoxycholic acidIsochenodeoxycholic AcidGlycodehydrocholic acidchenodeoxycholic acid3-sulfate disodium salt3-Sulfo-ursodeoxycholic Acid Disodium SaltTaurocholic Acid 3 sulfate sodium salt3¦Â-Glycocholic AcidTrihydroxycholestanoic AcidfalseMeasurements of fecal glycocholic acid abundance in DSS induced UC mice model treated with 200 mg per kg glycocholic acid<p>Background: Unlike the reported CA, the abundance of fecal GCA did not significantly increase after DSS treatment in C57BL/6J mice. Hence, exogenous supplementation of GCA were given to DSS-induced colitis mice via oral gavage. We want to know whether GCA treatment at 200 mg/kg yielded fecal GCA concentration in human IBD patients.</p><p>Methods: 200 mg/kg GCA were given to 2 % DSS-induced colitis mice via oral gavage for 7 days. Fecal samples were collected from the mice after 7 days treatment post-treatment for metabolomic analysis of bile acids.</p>2026-05-032026-03-12MTBLS14032CDCA-3SCACDCA-3GlnCDCACA-3SCA-7SCDCA-24GCA-3GCDCA-3,7S